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HEPTADECA-1,6,11,16-TETRAEN-9-CARBOXYLIC ACID, 9-CYANO-, METHYL ESTER (cis/trans-ISOMER)
SpectraBase Compound ID L0vjhVSaGcC
InChI InChI=1S/C20H29NO2/c1-4-6-8-10-12-14-16-20(18-21,19(22)23-3)17-15-13-11-9-7-5-2/h4-5,12-15H,1-2,6-11,16-17H2,3H3/b14-12+,15-13+
InChIKey QGRBSQQWMKGWRK-QUMQEAAQSA-N
Mol Weight 315.46 g/mol
Molecular Formula C20H29NO2
Exact Mass 315.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0j7kt323yi
Name Methyl (4E)-2-cyano-2-[(2E)-2,7-octadienyl]-4,9-decadienoate
CAS Registry Number 99631-99-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29NO2
InChI InChI=1S/C20H29NO2/c1-4-6-8-10-12-14-16-20(18-21,19(22)23-3)17-15-13-11-9-7-5-2/h4-5,12-15H,1-2,6-11,16-17H2,3H3/b14-12+,15-13+
InChIKey QGRBSQQWMKGWRK-QUMQEAAQSA-N
Molecular Weight 315.457 g/mol
SMILES C(=O)(C(C\C=C\CCCC=C)(C#N)C\C=C\CCCC=C)OC
SPLASH splash10-0aor-9300000000-9fb08daa8339f44b1509
Synonyms (4E)-2-cyano-2-[(2E)-octa-2,7-dienyl]deca-4,9-dienoic acid methyl ester Heptadeca-1,6,11,16-tetraene-9-carboxylic acid, 9-cyano-, methyl ester Methyl (4E)-2-cyano-2-[(2E)-octa-2,7-dienyl]deca-4,9-dienoate
Wiley ID 1498442